diff options
author | Yuri Victorovich <yuri@FreeBSD.org> | 2018-08-28 00:57:26 +0000 |
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committer | Yuri Victorovich <yuri@FreeBSD.org> | 2018-08-28 00:57:26 +0000 |
commit | d43f97103985a3c6a64bd27467dec6c9b5b6cfe0 (patch) | |
tree | 06851180ba09f738e4b2968adee64ec3f32b2ddf /science/libint2 | |
parent | 2f9f7190da0c98805dd837af2f4874736b8cb445 (diff) | |
download | ports-d43f97103985a3c6a64bd27467dec6c9b5b6cfe0.tar.gz ports-d43f97103985a3c6a64bd27467dec6c9b5b6cfe0.zip |
New port: science/libint2: Evaluate the integrals in modern atomic and molecular theory
Repocopy of science/libint.
science/libint is at version 1.X, is incompatible, and is used by several other packages.
Notes
Notes:
svn path=/head/; revision=478276
Diffstat (limited to 'science/libint2')
-rw-r--r-- | science/libint2/Makefile | 46 | ||||
-rw-r--r-- | science/libint2/distinfo | 3 | ||||
-rw-r--r-- | science/libint2/files/patch-src_bin_libint_tactic.h | 10 | ||||
-rw-r--r-- | science/libint2/pkg-descr | 4 | ||||
-rw-r--r-- | science/libint2/pkg-plist | 347 |
5 files changed, 410 insertions, 0 deletions
diff --git a/science/libint2/Makefile b/science/libint2/Makefile new file mode 100644 index 000000000000..cd94441df395 --- /dev/null +++ b/science/libint2/Makefile @@ -0,0 +1,46 @@ +# Created by: NAKATA, Maho <maho@FreeBSD.org> +# $FreeBSD$ + +PORTNAME= libint2 +DISTVERSIONPREFIX= v +DISTVERSION= 2.5.0-beta.2-20 +DISTVERSIONSUFFIX= -gc2e0a72 +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Evaluate the integrals in modern atomic and molecular theory + +LICENSE= GPLv2 +LICENSE_FILE= ${WRKSRC}/LICENSE + +BROKEN_FreeBSD_10= /usr/include/c++/v1/memory:4004:35: error: no viable overloaded '=': __e->__weak_this_ = *this; + +LIB_DEPENDS= libboost_system.so:devel/boost-libs \ + libgmpxx.so:math/gmp + +USES= autoreconf:build compiler:c++11-lang gmake libtool localbase:ldflags +USE_GITHUB= yes +GH_ACCOUNT= evaleev +GH_PROJECT= ${PORTNAME:S/2//} +USE_LDCONFIG= yes +ALL_TARGET= default + +GNU_CONFIGURE= yes +CONFIGURE_ARGS= --enable-shared --disable-static --with-cc-optflags="${CFLAGS}" \ + --with-cxx-optflags="${CXXFLAGS}" + +DATADIR= ${PREFIX}/share/${PORTNAME:S/2//} + +post-patch: + @${REINPLACE_CMD} -e 's| -rpath|${LDFLAGS} -rpath|g' \ + ${WRKSRC}/src/lib/MakeVars.in + +pre-configure: +# Cannot run autoheader so cannot use autoreconf. + @cd ${WRKSRC} && ${LOCALBASE}/bin/libtoolize -c -f \ + && ${LOCALBASE}/bin/aclocal && ${LOCALBASE}/bin/autoconf + +post-install: + @${STRIP_CMD} ${STAGEDIR}${PREFIX}/lib/*.so + +.include <bsd.port.mk> diff --git a/science/libint2/distinfo b/science/libint2/distinfo new file mode 100644 index 000000000000..21df22ced447 --- /dev/null +++ b/science/libint2/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1535411311 +SHA256 (evaleev-libint-v2.5.0-beta.2-20-gc2e0a72_GH0.tar.gz) = dd2fc5bcbc6373475f9dd00aa7fa5ee3a26d0f89e725d5a0c3a03ae1b6d1525c +SIZE (evaleev-libint-v2.5.0-beta.2-20-gc2e0a72_GH0.tar.gz) = 11944895 diff --git a/science/libint2/files/patch-src_bin_libint_tactic.h b/science/libint2/files/patch-src_bin_libint_tactic.h new file mode 100644 index 000000000000..75c99ea4e9a5 --- /dev/null +++ b/science/libint2/files/patch-src_bin_libint_tactic.h @@ -0,0 +1,10 @@ +--- src/bin/libint/tactic.h.orig 2018-08-27 23:11:44 UTC ++++ src/bin/libint/tactic.h +@@ -21,6 +21,7 @@ + #include <cmath> + #include <cstdlib> + #include <smart_ptr.h> ++#include <time.h> + + #ifndef _libint2_src_bin_libint_tactic_h_ + #define _libint2_src_bin_libint_tactic_h_ diff --git a/science/libint2/pkg-descr b/science/libint2/pkg-descr new file mode 100644 index 000000000000..88b8efb22cb3 --- /dev/null +++ b/science/libint2/pkg-descr @@ -0,0 +1,4 @@ +Libint is a library for evaluating ERI (electron replusion integral) +over Cartesian Gaussian fuctions for modern atomic and molecular theory. + +WWW: https://github.com/evaleev/libint diff --git a/science/libint2/pkg-plist b/science/libint2/pkg-plist new file mode 100644 index 000000000000..e111fe416571 --- /dev/null +++ b/science/libint2/pkg-plist @@ -0,0 +1,347 @@ +include/libint2.h +include/libint2.hpp +include/libint2/GenericContract.h +include/libint2/GenericGaussDeriv.h +include/libint2/GenericGaussDeriv.impl.h +include/libint2/GenericScale.h +include/libint2/ITR_xs_xs.h +include/libint2/OSVRR_sx_sx.h +include/libint2/OSVRR_sx_sx_deriv.h +include/libint2/OSVRR_xs_xs.h +include/libint2/OSVRR_xs_xs_deriv.h +include/libint2/VRR_GTG_1d_xx_xx.h +include/libint2/VRR_GTG_1d_xx_xx_vec.h +include/libint2/VRR_r12kg12_xs_xs.h +include/libint2/atom.h +include/libint2/basis.h +include/libint2/boost/preprocessor.hpp +include/libint2/boost/preprocessor/arithmetic.hpp +include/libint2/boost/preprocessor/arithmetic/add.hpp +include/libint2/boost/preprocessor/arithmetic/dec.hpp +include/libint2/boost/preprocessor/arithmetic/detail/div_base.hpp +include/libint2/boost/preprocessor/arithmetic/div.hpp +include/libint2/boost/preprocessor/arithmetic/inc.hpp +include/libint2/boost/preprocessor/arithmetic/mod.hpp +include/libint2/boost/preprocessor/arithmetic/mul.hpp +include/libint2/boost/preprocessor/arithmetic/sub.hpp +include/libint2/boost/preprocessor/array.hpp +include/libint2/boost/preprocessor/array/data.hpp +include/libint2/boost/preprocessor/array/detail/get_data.hpp +include/libint2/boost/preprocessor/array/elem.hpp +include/libint2/boost/preprocessor/array/enum.hpp +include/libint2/boost/preprocessor/array/insert.hpp +include/libint2/boost/preprocessor/array/pop_back.hpp +include/libint2/boost/preprocessor/array/pop_front.hpp +include/libint2/boost/preprocessor/array/push_back.hpp +include/libint2/boost/preprocessor/array/push_front.hpp +include/libint2/boost/preprocessor/array/remove.hpp +include/libint2/boost/preprocessor/array/replace.hpp +include/libint2/boost/preprocessor/array/reverse.hpp +include/libint2/boost/preprocessor/array/size.hpp +include/libint2/boost/preprocessor/array/to_list.hpp +include/libint2/boost/preprocessor/array/to_seq.hpp +include/libint2/boost/preprocessor/array/to_tuple.hpp +include/libint2/boost/preprocessor/cat.hpp +include/libint2/boost/preprocessor/comparison.hpp +include/libint2/boost/preprocessor/comparison/equal.hpp +include/libint2/boost/preprocessor/comparison/greater.hpp +include/libint2/boost/preprocessor/comparison/greater_equal.hpp +include/libint2/boost/preprocessor/comparison/less.hpp +include/libint2/boost/preprocessor/comparison/less_equal.hpp +include/libint2/boost/preprocessor/comparison/not_equal.hpp +include/libint2/boost/preprocessor/config/config.hpp +include/libint2/boost/preprocessor/config/limits.hpp +include/libint2/boost/preprocessor/control.hpp +include/libint2/boost/preprocessor/control/deduce_d.hpp +include/libint2/boost/preprocessor/control/detail/dmc/while.hpp +include/libint2/boost/preprocessor/control/detail/edg/while.hpp +include/libint2/boost/preprocessor/control/detail/msvc/while.hpp +include/libint2/boost/preprocessor/control/detail/while.hpp +include/libint2/boost/preprocessor/control/expr_if.hpp +include/libint2/boost/preprocessor/control/expr_iif.hpp +include/libint2/boost/preprocessor/control/if.hpp +include/libint2/boost/preprocessor/control/iif.hpp +include/libint2/boost/preprocessor/control/while.hpp +include/libint2/boost/preprocessor/debug.hpp +include/libint2/boost/preprocessor/debug/assert.hpp +include/libint2/boost/preprocessor/debug/error.hpp +include/libint2/boost/preprocessor/debug/line.hpp +include/libint2/boost/preprocessor/detail/auto_rec.hpp +include/libint2/boost/preprocessor/detail/check.hpp +include/libint2/boost/preprocessor/detail/dmc/auto_rec.hpp +include/libint2/boost/preprocessor/detail/is_binary.hpp +include/libint2/boost/preprocessor/detail/is_unary.hpp +include/libint2/boost/preprocessor/detail/split.hpp +include/libint2/boost/preprocessor/facilities.hpp +include/libint2/boost/preprocessor/facilities/apply.hpp +include/libint2/boost/preprocessor/facilities/detail/is_empty.hpp +include/libint2/boost/preprocessor/facilities/empty.hpp +include/libint2/boost/preprocessor/facilities/expand.hpp +include/libint2/boost/preprocessor/facilities/identity.hpp +include/libint2/boost/preprocessor/facilities/intercept.hpp +include/libint2/boost/preprocessor/facilities/is_1.hpp +include/libint2/boost/preprocessor/facilities/is_empty.hpp +include/libint2/boost/preprocessor/facilities/is_empty_variadic.hpp +include/libint2/boost/preprocessor/facilities/overload.hpp +include/libint2/boost/preprocessor/iteration.hpp +include/libint2/boost/preprocessor/iteration/iterate.hpp +include/libint2/boost/preprocessor/iteration/local.hpp +include/libint2/boost/preprocessor/iteration/self.hpp +include/libint2/boost/preprocessor/library.hpp +include/libint2/boost/preprocessor/list.hpp +include/libint2/boost/preprocessor/list/adt.hpp +include/libint2/boost/preprocessor/list/append.hpp +include/libint2/boost/preprocessor/list/at.hpp +include/libint2/boost/preprocessor/list/cat.hpp +include/libint2/boost/preprocessor/list/detail/dmc/fold_left.hpp +include/libint2/boost/preprocessor/list/detail/edg/fold_left.hpp +include/libint2/boost/preprocessor/list/detail/edg/fold_right.hpp +include/libint2/boost/preprocessor/list/detail/fold_left.hpp +include/libint2/boost/preprocessor/list/detail/fold_right.hpp +include/libint2/boost/preprocessor/list/enum.hpp +include/libint2/boost/preprocessor/list/filter.hpp +include/libint2/boost/preprocessor/list/first_n.hpp +include/libint2/boost/preprocessor/list/fold_left.hpp +include/libint2/boost/preprocessor/list/fold_right.hpp +include/libint2/boost/preprocessor/list/for_each.hpp +include/libint2/boost/preprocessor/list/for_each_i.hpp +include/libint2/boost/preprocessor/list/for_each_product.hpp +include/libint2/boost/preprocessor/list/rest_n.hpp +include/libint2/boost/preprocessor/list/reverse.hpp +include/libint2/boost/preprocessor/list/size.hpp +include/libint2/boost/preprocessor/list/to_array.hpp +include/libint2/boost/preprocessor/list/to_seq.hpp +include/libint2/boost/preprocessor/list/to_tuple.hpp +include/libint2/boost/preprocessor/list/transform.hpp +include/libint2/boost/preprocessor/logical.hpp +include/libint2/boost/preprocessor/logical/and.hpp +include/libint2/boost/preprocessor/logical/bitand.hpp +include/libint2/boost/preprocessor/logical/bitnor.hpp +include/libint2/boost/preprocessor/logical/bitor.hpp +include/libint2/boost/preprocessor/logical/bitxor.hpp +include/libint2/boost/preprocessor/logical/bool.hpp +include/libint2/boost/preprocessor/logical/compl.hpp +include/libint2/boost/preprocessor/logical/nor.hpp +include/libint2/boost/preprocessor/logical/not.hpp +include/libint2/boost/preprocessor/logical/or.hpp +include/libint2/boost/preprocessor/logical/xor.hpp +include/libint2/boost/preprocessor/punctuation.hpp +include/libint2/boost/preprocessor/punctuation/comma.hpp +include/libint2/boost/preprocessor/punctuation/comma_if.hpp +include/libint2/boost/preprocessor/punctuation/detail/is_begin_parens.hpp +include/libint2/boost/preprocessor/punctuation/is_begin_parens.hpp +include/libint2/boost/preprocessor/punctuation/paren.hpp +include/libint2/boost/preprocessor/punctuation/paren_if.hpp +include/libint2/boost/preprocessor/punctuation/remove_parens.hpp +include/libint2/boost/preprocessor/repetition.hpp +include/libint2/boost/preprocessor/repetition/deduce_r.hpp +include/libint2/boost/preprocessor/repetition/deduce_z.hpp +include/libint2/boost/preprocessor/repetition/detail/dmc/for.hpp +include/libint2/boost/preprocessor/repetition/detail/edg/for.hpp +include/libint2/boost/preprocessor/repetition/detail/for.hpp +include/libint2/boost/preprocessor/repetition/detail/msvc/for.hpp +include/libint2/boost/preprocessor/repetition/enum.hpp +include/libint2/boost/preprocessor/repetition/enum_binary_params.hpp +include/libint2/boost/preprocessor/repetition/enum_params.hpp +include/libint2/boost/preprocessor/repetition/enum_params_with_a_default.hpp +include/libint2/boost/preprocessor/repetition/enum_params_with_defaults.hpp +include/libint2/boost/preprocessor/repetition/enum_shifted.hpp +include/libint2/boost/preprocessor/repetition/enum_shifted_binary_params.hpp +include/libint2/boost/preprocessor/repetition/enum_shifted_params.hpp +include/libint2/boost/preprocessor/repetition/enum_trailing.hpp +include/libint2/boost/preprocessor/repetition/enum_trailing_binary_params.hpp +include/libint2/boost/preprocessor/repetition/enum_trailing_params.hpp +include/libint2/boost/preprocessor/repetition/for.hpp +include/libint2/boost/preprocessor/repetition/repeat.hpp +include/libint2/boost/preprocessor/repetition/repeat_from_to.hpp +include/libint2/boost/preprocessor/selection.hpp +include/libint2/boost/preprocessor/selection/max.hpp +include/libint2/boost/preprocessor/selection/min.hpp +include/libint2/boost/preprocessor/seq.hpp +include/libint2/boost/preprocessor/seq/cat.hpp +include/libint2/boost/preprocessor/seq/detail/binary_transform.hpp +include/libint2/boost/preprocessor/seq/detail/is_empty.hpp +include/libint2/boost/preprocessor/seq/detail/split.hpp +include/libint2/boost/preprocessor/seq/elem.hpp +include/libint2/boost/preprocessor/seq/enum.hpp +include/libint2/boost/preprocessor/seq/filter.hpp +include/libint2/boost/preprocessor/seq/first_n.hpp +include/libint2/boost/preprocessor/seq/fold_left.hpp +include/libint2/boost/preprocessor/seq/fold_right.hpp +include/libint2/boost/preprocessor/seq/for_each.hpp +include/libint2/boost/preprocessor/seq/for_each_i.hpp +include/libint2/boost/preprocessor/seq/for_each_product.hpp +include/libint2/boost/preprocessor/seq/insert.hpp +include/libint2/boost/preprocessor/seq/pop_back.hpp +include/libint2/boost/preprocessor/seq/pop_front.hpp +include/libint2/boost/preprocessor/seq/push_back.hpp +include/libint2/boost/preprocessor/seq/push_front.hpp +include/libint2/boost/preprocessor/seq/remove.hpp +include/libint2/boost/preprocessor/seq/replace.hpp +include/libint2/boost/preprocessor/seq/rest_n.hpp +include/libint2/boost/preprocessor/seq/reverse.hpp +include/libint2/boost/preprocessor/seq/seq.hpp +include/libint2/boost/preprocessor/seq/size.hpp +include/libint2/boost/preprocessor/seq/subseq.hpp +include/libint2/boost/preprocessor/seq/to_array.hpp +include/libint2/boost/preprocessor/seq/to_list.hpp +include/libint2/boost/preprocessor/seq/to_tuple.hpp +include/libint2/boost/preprocessor/seq/transform.hpp +include/libint2/boost/preprocessor/seq/variadic_seq_to_seq.hpp +include/libint2/boost/preprocessor/slot.hpp +include/libint2/boost/preprocessor/slot/detail/counter.hpp +include/libint2/boost/preprocessor/slot/detail/def.hpp +include/libint2/boost/preprocessor/slot/detail/shared.hpp +include/libint2/boost/preprocessor/slot/detail/slot1.hpp +include/libint2/boost/preprocessor/slot/detail/slot2.hpp +include/libint2/boost/preprocessor/slot/detail/slot3.hpp +include/libint2/boost/preprocessor/slot/detail/slot4.hpp +include/libint2/boost/preprocessor/slot/detail/slot5.hpp +include/libint2/boost/preprocessor/slot/slot.hpp +include/libint2/boost/preprocessor/stringize.hpp +include/libint2/boost/preprocessor/tuple.hpp +include/libint2/boost/preprocessor/tuple/detail/is_single_return.hpp +include/libint2/boost/preprocessor/tuple/eat.hpp +include/libint2/boost/preprocessor/tuple/elem.hpp +include/libint2/boost/preprocessor/tuple/enum.hpp +include/libint2/boost/preprocessor/tuple/insert.hpp +include/libint2/boost/preprocessor/tuple/pop_back.hpp +include/libint2/boost/preprocessor/tuple/pop_front.hpp +include/libint2/boost/preprocessor/tuple/push_back.hpp +include/libint2/boost/preprocessor/tuple/push_front.hpp +include/libint2/boost/preprocessor/tuple/rem.hpp +include/libint2/boost/preprocessor/tuple/remove.hpp +include/libint2/boost/preprocessor/tuple/replace.hpp 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