diff --git a/.gitignore b/.gitignore index b573297..ff4e99f 100644 --- a/.gitignore +++ b/.gitignore @@ -18,3 +18,4 @@ /libcint-4.1.1.tar.gz /libcint-4.1.2.tar.gz /libcint-4.1.3.tar.gz +/libcint-4.4.0.tar.gz diff --git a/libcint-4.1.2-libpath.patch b/libcint-4.1.2-libpath.patch deleted file mode 100644 index 37e47f8..0000000 --- a/libcint-4.1.2-libpath.patch +++ /dev/null @@ -1,24 +0,0 @@ -diff -up libcint-4.1.2/testsuite/test_3c2e.py.libpath libcint-4.1.2/testsuite/test_3c2e.py ---- libcint-4.1.2/testsuite/test_3c2e.py.libpath 2021-04-11 07:02:05.000000000 +0000 -+++ libcint-4.1.2/testsuite/test_3c2e.py 2021-04-11 21:44:12.774055892 +0000 -@@ -13,7 +13,7 @@ import os - import ctypes - import numpy - --_cint = numpy.ctypeslib.load_library('libcint', os.path.abspath(os.path.join(__file__, '../../build'))) -+_cint = numpy.ctypeslib.load_library('libcint', '.') - - - PTR_LIGHT_SPEED = 0 -diff -up libcint-4.1.2/testsuite/test_cint.py.libpath libcint-4.1.2/testsuite/test_cint.py ---- libcint-4.1.2/testsuite/test_cint.py.libpath 2021-04-11 07:02:05.000000000 +0000 -+++ libcint-4.1.2/testsuite/test_cint.py 2021-04-11 21:49:01.184935829 +0000 -@@ -13,7 +13,7 @@ import os - import ctypes - import numpy - --_cint = numpy.ctypeslib.load_library('libcint', os.path.abspath(os.path.join(__file__, '../../build'))) -+_cint = numpy.ctypeslib.load_library('libcint','.') - - - PTR_COMMON_ORIG = 1 diff --git a/libcint-4.4.0-libpath.patch b/libcint-4.4.0-libpath.patch new file mode 100644 index 0000000..aa00697 --- /dev/null +++ b/libcint-4.4.0-libpath.patch @@ -0,0 +1,24 @@ +diff -up libcint-4.4.0/testsuite/test_3c2e.py.libpath libcint-4.4.0/testsuite/test_3c2e.py +--- libcint-4.4.0/testsuite/test_3c2e.py.libpath 2021-05-04 09:41:53.000000000 +0000 ++++ libcint-4.4.0/testsuite/test_3c2e.py 2021-05-06 22:30:26.201514675 +0000 +@@ -13,7 +13,7 @@ import os + import ctypes + import numpy + +-_cint = numpy.ctypeslib.load_library('libcint', os.path.abspath(os.path.join(__file__, '../../build'))) ++_cint = numpy.ctypeslib.load_library('libcint', '.') + + + PTR_LIGHT_SPEED = 0 +diff -up libcint-4.4.0/testsuite/test_cint.py.libpath libcint-4.4.0/testsuite/test_cint.py +--- libcint-4.4.0/testsuite/test_cint.py.libpath 2021-05-06 22:30:26.201514675 +0000 ++++ libcint-4.4.0/testsuite/test_cint.py 2021-05-06 22:31:57.117878697 +0000 +@@ -13,7 +13,7 @@ import os + import ctypes + import numpy + +-_cint = numpy.ctypeslib.load_library('libcint', os.path.abspath(os.path.join(__file__, '../../build'))) ++_cint = numpy.ctypeslib.load_library('libcint','.') + + + PTR_EXPCUTOFF = 0 diff --git a/libcint.spec b/libcint.spec index 64d1031..e5845d5 100644 --- a/libcint.spec +++ b/libcint.spec @@ -9,7 +9,7 @@ %global soversion 4 Name: libcint -Version: 4.1.3 +Version: 4.4.0 Release: 1%{?dist} Summary: General Gaussian-type orbitals integrals for quantum chemistry @@ -18,7 +18,7 @@ URL: https://github.com/sunqm/libcint Source0: https://github.com/sunqm/libcint/archive/v%{version}/libcint-%{version}.tar.gz # Fix library path for tests -Patch0: libcint-4.1.2-libpath.patch +Patch0: libcint-4.4.0-libpath.patch # qcint is a drop-in replacement of the same library with architecture dependent optimizations Conflicts: qcint @@ -83,6 +83,9 @@ make -C %{_host} test ARGS=-V %{_libdir}/libcint.so %changelog +* Thu May 06 2021 Susi Lehtola - 4.4.0-1 +- Update to 4.4.0. + * Wed Apr 14 2021 Susi Lehtola - 4.1.3-1 - Update to 4.1.3. diff --git a/sources b/sources index dfccf8d..d243118 100644 --- a/sources +++ b/sources @@ -1 +1 @@ -SHA512 (libcint-4.1.3.tar.gz) = 6c2ada3f6dfc52e3c9fea67768daa99033bbd3cedd01b1342dfc7e2228a5e2349730864a8fc7bda2a2a6643bd0e19769bf6ae73faff4a88d80ecddc392710a38 +SHA512 (libcint-4.4.0.tar.gz) = 9a95731aa0571338fd64bbe87b5b98426faf0ac1fcc94f90b73116be5b9f86ed05e5f09a80f13c943b6ca5588667cc3ab8598af67b898a39f2f0c24e6fb4e47f